4-Hexen-1-ol, trifluoroacetate
PubChem CID: 91694359
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| Compound Synonyms | 4-Hexen-1-ol, trifluoroacetate, VGZQUSPVQQXMSU-NSCUHMNNSA-N |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-hex-4-enyl] 2,2,2-trifluoroacetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C8H11F3O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VGZQUSPVQQXMSU-NSCUHMNNSA-N |
| Fcsp3 | 0.625 |
| Logs | -2.4 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.001 |
| Compound Name | 4-Hexen-1-ol, trifluoroacetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.071 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.071 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 196.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.5061416000000003 |
| Inchi | InChI=1S/C8H11F3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-3H,4-6H2,1H3/b3-2+ |
| Smiles | C/C=C/CCCOC(=O)C(F)(F)F |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients